Geometry & MOs

Info

ID:	244386
PubChem CID:	99350557
Reduced:	O2S2N3C24H27 (1)
Stoich.:	A2B2C3D24E27 (1)
Weight, g/mol:	453.154469
ΔH_f, kcal/mol:	-5.78
Dipole, Da:	6.78
IP(EA), eV:	-8.28(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)NC[C@@H]3CCN(C3)C4=CC=CC=C4OC

DOS

IR

Vibrations